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CHEBI:158468 - Ile-His-Ile

ChEBI IDCHEBI:158468
ChEBI NameIle-His-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H31N5O4
Net Charge0
Average Mass381.477
Monoisotopic Mass381.23760
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@H](C(=O)O)[C@@H](C)CC
InChIInChI=1S/C18H31N5O4/c1-5-10(3)14(19)17(25)22-13(7-12-8-20-9-21-12)16(24)23-15(18(26)27)11(4)6-2/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/t10-,11-,13-,14-,15-/m0/s1
InChIKeyKOPIAUWNLKKELG-SIGLWIIPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ile-His-Ile (CHEBI:158468) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid